SCHEMBL782549

SCHEMBL782549

COC(=O)C1(OC(=O)Cc2cc(C)ccc2OC)CCN(OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
FPR3 P25089 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
SLC13A5 Q86YT5 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL782510 0.89 MEN1 (0.33) MEN1KMT2AL3MBTL1GAA
SCHEMBL782430 0.87 MAPT (0.35) FPR3MEN1KMT2AL3MBTL1NPC1
SCHEMBL769717 0.80 SMN1; SMN2 (0.40) MEN1KMT2AL3MBTL1GAAKCNH2
SCHEMBL782542 0.77 KMT2A (0.45) MEN1KMT2AL3MBTL1GAA
SCHEMBL782328 0.76 KCNH2 (0.33) MEN1KMT2AL3MBTL1GAAKCNH2
SCHEMBL9289348 0.76 FFAR4 (0.40) MEN1KMT2AKCNH2CYP2D6
SCHEMBL782509 0.75 RAB9A (0.32) RAB9A
SCHEMBL782506 0.74 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL31356448 0.74 MAPK8 (0.53) MAPK8L3MBTL1ABL1RIN1SLC13A5
SCHEMBL5471244 0.74 MAPK8 (0.53) MAPK8L3MBTL1ABL1RIN1SLC13A5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
WO-2012069008-A1 3-SUBSTITUTED SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
WO-2010135914-A1 NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES DDT, DHFR, CYP1A1 MAPK8 4047/4885FPR3 1592/4885MEN1 1302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.